N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine

C15H20N4O — CID 66215112

IUPACN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1noc(-c2ccccc2)n1)C1CNC1
InChIInChI=1S/C15H20N4O/c1-2-8-19(13-9-16-10-13)11-14-17-15(20-18-14)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyXHLGAXOLMGQZHI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.92
Rot. Bonds6

About N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine

N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine (PubChem CID 66215112) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
PubChem CID66215112
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine
SMILESCCCN(Cc1noc(-c2ccccc2)n1)C1CNC1
InChIInChI=1S/C15H20N4O/c1-2-8-19(13-9-16-10-13)11-14-17-15(20-18-14)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3
InChIKeyXHLGAXOLMGQZHI-UHFFFAOYSA-N
XLogP1.92
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66215907
N-propyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66213913
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63300902
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N-propyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63304349
3-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115666486
2-[cyclobutyl-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]ethanol
CID 102677089
N-propyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-amine
CID 66213906
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-N-propylazetidin-3-amine
CID 66214893
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 66182012
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-cyclobutylamino]ethanol
CID 102677203
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine?
The IUPAC name of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine (CID 66215112) is N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine.
What is the SMILES notation for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine?
The canonical SMILES for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine is CCCN(Cc1noc(-c2ccccc2)n1)C1CNC1.
What is the InChIKey of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine?
The InChIKey is XHLGAXOLMGQZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-8-19(13-9-16-10-13)11-14-17-15(20-18-14)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3.
What are the key properties of N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine?
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-propylazetidin-3-amine is sourced from PubChem (CID 66215112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).